CID 126985096

1873207-44-3

Structural Information

Molecular Formula
C9H17N5
SMILES
CN1C=C(N=N1)C(CN)N2CCCC2
InChI
InChI=1S/C9H17N5/c1-13-7-8(11-12-13)9(6-10)14-4-2-3-5-14/h7,9H,2-6,10H2,1H3
InChIKey
CWFSPTOOUOCEOT-UHFFFAOYSA-N
Compound name
2-(1-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14839 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.155666 144.8
[M+Na]+ 218.137608 151.0
[M-H]- 194.141114 145.7
[M+NH4]+ 213.182213 161.5
[M+K]+ 234.111548 149.4
[M+H-H2O]+ 178.145650 135.0
[M+HCOO]- 240.146591 163.7
[M+CH3COO]- 254.162241 185.3
[M+Na-2H]- 216.123056 145.6
[M]+ 195.14784142 141.1
[M]- 195.14893858 141.1
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.