CID 103439991

1-methoxycyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
COC1(CC1)C#N
InChI
InChI=1S/C5H7NO/c1-7-5(4-6)2-3-5/h2-3H2,1H3
InChIKey
NLTMEHUHNURKRG-UHFFFAOYSA-N
Compound name
1-methoxycyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

97.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 114.9
[M+Na]+ 120.041983 131.2
[M-H]- 96.045489 122.1
[M+NH4]+ 115.086588 135.3
[M+K]+ 136.015923 127.5
[M+H-H2O]+ 80.050025 107.2
[M+HCOO]- 142.050966 137.7
[M+CH3COO]- 156.066616 182.7
[M+Na-2H]- 118.027431 125.7
[M]+ 97.05221642 115.7
[M]- 97.05331358 115.7
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