CID 11615232

(5-methyl-1,3,4-thiadiazol-2-yl)methanamine

Structural Information

Molecular Formula
C4H7N3S
SMILES
CC1=NN=C(S1)CN
InChI
InChI=1S/C4H7N3S/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3
InChIKey
BPPLZEYBPSFHTO-UHFFFAOYSA-N
Compound name
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

129.03607 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 122.2
[M+Na]+ 152.02529 132.4
[M-H]- 128.02879 123.7
[M+NH4]+ 147.06989 143.9
[M+K]+ 167.99923 130.5
[M+H-H2O]+ 112.03333 115.9
[M+HCOO]- 174.03427 141.7
[M+CH3COO]- 188.04992 170.8
[M+Na-2H]- 150.01074 125.6
[M]+ 129.03552 122.9
[M]- 129.03662 122.9
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