CID 63997132

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

Structural Information

Molecular Formula
C9H16N4
SMILES
CC(C)(C1=CN(N=N1)CC2CC2)N
InChI
InChI=1S/C9H16N4/c1-9(2,10)8-6-13(12-11-8)5-7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKey
VGVOGNYRRJPDDQ-UHFFFAOYSA-N
Compound name
2-[1-(cyclopropylmethyl)triazol-4-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 147.7
[M+Na]+ 203.126718 157.5
[M-H]- 179.130224 151.0
[M+NH4]+ 198.171323 160.4
[M+K]+ 219.100658 153.4
[M+H-H2O]+ 163.134760 139.6
[M+HCOO]- 225.135701 168.3
[M+CH3COO]- 239.151351 186.9
[M+Na-2H]- 201.112166 152.5
[M]+ 180.13695142 148.9
[M]- 180.13804858 148.9
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.