CID 50986549

2344680-74-4

Structural Information

Molecular Formula
C7H14N4
SMILES
CC(C)C1=NNC(=N1)CCN
InChI
InChI=1S/C7H14N4/c1-5(2)7-9-6(3-4-8)10-11-7/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKey
GSFXHRLTEGWUDC-UHFFFAOYSA-N
Compound name
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12912 135.3
[M+Na]+ 177.11106 143.0
[M-H]- 153.11456 133.3
[M+NH4]+ 172.15566 153.1
[M+K]+ 193.08500 140.7
[M+H-H2O]+ 137.11910 127.6
[M+HCOO]- 199.12004 155.3
[M+CH3COO]- 213.13569 177.2
[M+Na-2H]- 175.09651 139.0
[M]+ 154.12129 132.9
[M]- 154.12239 132.9
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.