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]+ 267.15258 163.6
[M+Na]+ 289.13452 164.6
[M-H]- 265.13802 168.5
[M+NH4]+ 284.17912 178.8
[M+K]+ 305.10846 165.4
[M+H-H2O]+ 249.14256 155.3
[M+HCOO]- 311.14350 177.7
[M+CH3COO]- 325.15915 196.6
[M+Na-2H]- 287.11997 161.8
[M]+ 266.14475 158.0
[M]- 266.14585 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.