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]+ 169.144776 139.9
[M+Na]+ 191.126718 148.0
[M-H]- 167.130224 139.5
[M+NH4]+ 186.171323 158.0
[M+K]+ 207.100658 146.8
[M+H-H2O]+ 151.134760 132.5
[M+HCOO]- 213.135701 159.4
[M+CH3COO]- 227.151351 183.1
[M+Na-2H]- 189.112166 144.3
[M]+ 168.13695142 139.2
[M]- 168.13804858 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