CID 548683

5-norbornene-2,3-diacetonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
C1C2C=CC1C(C2CC#N)CC#N
InChI
InChI=1S/C11H12N2/c12-5-3-10-8-1-2-9(7-8)11(10)4-6-13/h1-2,8-11H,3-4,7H2
InChIKey
FCVWUISGWGCJNK-UHFFFAOYSA-N
Compound name
2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

172.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 152.5
[M+Na]+ 195.08927 164.0
[M-H]- 171.09277 155.8
[M+NH4]+ 190.13387 169.6
[M+K]+ 211.06321 156.7
[M+H-H2O]+ 155.09731 138.3
[M+HCOO]- 217.09825 164.6
[M+CH3COO]- 231.11390 214.5
[M+Na-2H]- 193.07472 153.7
[M]+ 172.09950 145.2
[M]- 172.10060 145.2
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