CID 28781808

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane

Structural Information

Molecular Formula
C10H17N3S
SMILES
CC1=NC(=CS1)CN2CCCNCC2
InChI
InChI=1S/C10H17N3S/c1-9-12-10(8-14-9)7-13-5-2-3-11-4-6-13/h8,11H,2-7H2,1H3
InChIKey
ZXMRSRLKEACDHW-UHFFFAOYSA-N
Compound name
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11432 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12160 146.7
[M+Na]+ 234.10354 151.2
[M-H]- 210.10704 148.7
[M+NH4]+ 229.14814 161.7
[M+K]+ 250.07748 151.4
[M+H-H2O]+ 194.11158 137.4
[M+HCOO]- 256.11252 158.0
[M+CH3COO]- 270.12817 156.5
[M+Na-2H]- 232.08899 145.9
[M]+ 211.11377 140.1
[M]- 211.11487 140.1
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.