CID 75480595

2-(4-methoxycyclohexylidene)acetonitrile

Structural Information

Molecular Formula
C9H13NO
SMILES
COC1CCC(=CC#N)CC1
InChI
InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h6,9H,2-5H2,1H3
InChIKey
SPBXZUHBIRCWRE-UHFFFAOYSA-N
Compound name
2-(4-methoxycyclohexylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

151.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.1
[M+Na]+ 174.08894 139.4
[M-H]- 150.09244 134.2
[M+NH4]+ 169.13354 150.4
[M+K]+ 190.06288 136.6
[M+H-H2O]+ 134.09698 119.6
[M+HCOO]- 196.09792 148.8
[M+CH3COO]- 210.11357 188.1
[M+Na-2H]- 172.07439 135.9
[M]+ 151.09917 123.4
[M]- 151.10027 123.4
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