CID 86262648

[1-(pyrrolidin-3-yl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CNCC1N2C=C(N=N2)CO
InChI
InChI=1S/C7H12N4O/c12-5-6-4-11(10-9-6)7-1-2-8-3-7/h4,7-8,12H,1-3,5H2
InChIKey
OXYWNKORLFUOQX-UHFFFAOYSA-N
Compound name
(1-pyrrolidin-3-yltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 136.4
[M+Na]+ 191.090318 143.7
[M-H]- 167.093824 135.2
[M+NH4]+ 186.134923 153.3
[M+K]+ 207.064258 141.2
[M+H-H2O]+ 151.098360 127.6
[M+HCOO]- 213.099301 153.6
[M+CH3COO]- 227.114951 147.7
[M+Na-2H]- 189.075766 138.8
[M]+ 168.10055142 131.9
[M]- 168.10164858 131.9
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.