CID 64003978

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

Structural Information

Molecular Formula
C8H16N4
SMILES
CC(C)N1C=C(N=N1)C(C)(C)N
InChI
InChI=1S/C8H16N4/c1-6(2)12-5-7(10-11-12)8(3,4)9/h5-6H,9H2,1-4H3
InChIKey
FYPXPUVQGHCUMR-UHFFFAOYSA-N
Compound name
2-(1-propan-2-yltriazol-4-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.1375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14478 139.9
[M+Na]+ 191.12672 148.0
[M-H]- 167.13022 139.5
[M+NH4]+ 186.17132 158.0
[M+K]+ 207.10066 146.8
[M+H-H2O]+ 151.13476 132.5
[M+HCOO]- 213.13570 159.4
[M+CH3COO]- 227.15135 183.1
[M+Na-2H]- 189.11217 144.3
[M]+ 168.13695 139.2
[M]- 168.13805 139.2
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