CID 58962302

1-(2-chloroethyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C6H8ClN
SMILES
C1CC1(CCCl)C#N
InChI
InChI=1S/C6H8ClN/c7-4-3-6(5-8)1-2-6/h1-4H2
InChIKey
LMUJNTRYVRKXIA-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.03453 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04181 118.7
[M+Na]+ 152.02375 135.3
[M-H]- 128.02725 125.5
[M+NH4]+ 147.06835 138.7
[M+K]+ 167.99769 129.1
[M+H-H2O]+ 112.03179 111.7
[M+HCOO]- 174.03273 137.2
[M+CH3COO]- 188.04838 186.9
[M+Na-2H]- 150.00920 128.8
[M]+ 129.03398 119.9
[M]- 129.03508 119.9
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