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

8
Patents

138.07932 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 131.7
[M+Na]+ 161.068538 142.2
[M-H]- 137.072044 135.6
[M+NH4]+ 156.113143 148.8
[M+K]+ 177.042478 139.8
[M+H-H2O]+ 121.076580 125.2
[M+HCOO]- 183.077521 153.9
[M+CH3COO]- 197.093171 172.1
[M+Na-2H]- 159.053986 139.0
[M]+ 138.07877142 133.6
[M]- 138.07986858 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