CID 93597341

1379445-26-7

Structural Information

Molecular Formula
C5H11N5S
SMILES
CSCC[C@@H](C1=NNN=N1)N
InChI
InChI=1S/C5H11N5S/c1-11-3-2-4(6)5-7-9-10-8-5/h4H,2-3,6H2,1H3,(H,7,8,9,10)/t4-/m0/s1
InChIKey
FNGAGYWYOUHIGG-BYPYZUCNSA-N
Compound name
(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07352 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.08080 135.1
[M+Na]+ 196.06274 143.4
[M-H]- 172.06624 132.0
[M+NH4]+ 191.10734 151.3
[M+K]+ 212.03668 140.6
[M+H-H2O]+ 156.07078 127.1
[M+HCOO]- 218.07172 149.3
[M+CH3COO]- 232.08737 176.9
[M+Na-2H]- 194.04819 137.1
[M]+ 173.07297 134.3
[M]- 173.07407 134.3
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.