CID 9578466

1-butanone, 4-(hexahydro-1h-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride

Structural Information

Molecular Formula
C14H22N2OS
SMILES
C1CCCN(CC1)CCC/C(=N/O)/C2=CSC=C2
InChI
InChI=1S/C14H22N2OS/c17-15-14(13-7-11-18-12-13)6-5-10-16-8-3-1-2-4-9-16/h7,11-12,17H,1-6,8-10H2/b15-14-
InChIKey
SCXCOVFMMICTTA-PFONDFGASA-N
Compound name
(NZ)-N-[4-(azepan-1-yl)-1-thiophen-3-ylbutylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.152576 163.6
[M+Na]+ 289.134518 164.6
[M-H]- 265.138024 168.5
[M+NH4]+ 284.179123 178.8
[M+K]+ 305.108458 165.4
[M+H-H2O]+ 249.142560 155.3
[M+HCOO]- 311.143501 177.7
[M+CH3COO]- 325.159151 196.6
[M+Na-2H]- 287.119966 161.8
[M]+ 266.14475142 158.0
[M]- 266.14584858 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.