CID 28064233

959237-92-4

Structural Information

Molecular Formula
C5H10N4
SMILES
CC(C)N1C=C(N=N1)N
InChI
InChI=1S/C5H10N4/c1-4(2)9-3-5(6)7-8-9/h3-4H,6H2,1-2H3
InChIKey
LNTHUBFWDIZBAA-UHFFFAOYSA-N
Compound name
1-propan-2-yltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.090546 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 125.5
[M+Na]+ 149.07976 134.5
[M-H]- 125.08327 125.2
[M+NH4]+ 144.12437 145.2
[M+K]+ 165.05370 133.6
[M+H-H2O]+ 109.08781 117.9
[M+HCOO]- 171.08875 147.6
[M+CH3COO]- 185.10440 173.7
[M+Na-2H]- 147.06521 130.8
[M]+ 126.09000 124.3
[M]- 126.09109 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe