CID 130567480

(1r)-1-[1-(propan-2-yl)-1h-1,2,3-triazol-4-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H14N4
SMILES
C[C@H](C1=CN(N=N1)C(C)C)N
InChI
InChI=1S/C7H14N4/c1-5(2)11-4-7(6(3)8)9-10-11/h4-6H,8H2,1-3H3/t6-/m1/s1
InChIKey
PLACVJNEVHWHIO-ZCFIWIBFSA-N
Compound name
(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 135.0
[M+Na]+ 177.111058 142.9
[M-H]- 153.114564 134.6
[M+NH4]+ 172.155663 153.5
[M+K]+ 193.084998 142.0
[M+H-H2O]+ 137.119100 127.2
[M+HCOO]- 199.120041 155.5
[M+CH3COO]- 213.135691 180.6
[M+Na-2H]- 175.096506 138.0
[M]+ 154.12129142 133.9
[M]- 154.12238858 133.9
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

No patent data available for this compound.