CID 28064153

N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride

Structural Information

Molecular Formula
C7H10N2S
SMILES
C1CC1NCC2=CN=CS2
InChI
InChI=1S/C7H10N2S/c1-2-6(1)9-4-7-3-8-5-10-7/h3,5-6,9H,1-2,4H2
InChIKey
UFKTVLAFAKBFST-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

154.05647 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06375 126.4
[M+Na]+ 177.04569 136.1
[M-H]- 153.04919 132.9
[M+NH4]+ 172.09029 143.3
[M+K]+ 193.01963 132.9
[M+H-H2O]+ 137.05373 119.5
[M+HCOO]- 199.05467 147.5
[M+CH3COO]- 213.07032 140.2
[M+Na-2H]- 175.03114 130.9
[M]+ 154.05592 129.4
[M]- 154.05702 129.4
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

patents stripe