CID 77230224

858036-12-1

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CC1(CO)N2C=CN=C2
InChI
InChI=1S/C7H10N2O/c10-5-7(1-2-7)9-4-3-8-6-9/h3-4,6,10H,1-2,5H2
InChIKey
YZBGFIONNZPHLI-UHFFFAOYSA-N
Compound name
(1-imidazol-1-ylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

138.07932 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 131.7
[M+Na]+ 161.06854 142.2
[M-H]- 137.07204 135.6
[M+NH4]+ 156.11314 148.8
[M+K]+ 177.04248 139.8
[M+H-H2O]+ 121.07658 125.2
[M+HCOO]- 183.07752 153.9
[M+CH3COO]- 197.09317 172.1
[M+Na-2H]- 159.05399 139.0
[M]+ 138.07877 133.6
[M]- 138.07987 133.6
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