CID 11389359

2-cyclopropyl-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CC1C(C#N)O
InChI
InChI=1S/C5H7NO/c6-3-5(7)4-1-2-4/h4-5,7H,1-2H2
InChIKey
ILJKKAIQFPEIBL-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

640
Patents

97.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 114.4
[M+Na]+ 120.04198 129.3
[M-H]- 96.045489 120.0
[M+NH4]+ 115.08659 132.3
[M+K]+ 136.01592 124.9
[M+H-H2O]+ 80.050025 105.8
[M+HCOO]- 142.05097 135.4
[M+CH3COO]- 156.06662 181.4
[M+Na-2H]- 118.02743 122.8
[M]+ 97.052216 112.6
[M]- 97.053314 112.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe