CID 71757969

(5-cyclopropyl-4-methyl-4h-1,2,4-triazol-3-yl)methanol

Structural Information

Molecular Formula
C7H11N3O
SMILES
CN1C(=NN=C1C2CC2)CO
InChI
InChI=1S/C7H11N3O/c1-10-6(4-11)8-9-7(10)5-2-3-5/h5,11H,2-4H2,1H3
InChIKey
MDAAYJPPOBUTNZ-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 139.2
[M+Na]+ 176.07943 150.8
[M-H]- 152.08293 142.0
[M+NH4]+ 171.12403 153.0
[M+K]+ 192.05337 146.7
[M+H-H2O]+ 136.08747 131.4
[M+HCOO]- 198.08841 160.3
[M+CH3COO]- 212.10406 177.4
[M+Na-2H]- 174.06488 143.6
[M]+ 153.08966 141.8
[M]- 153.09076 141.8
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.