CID 121494105

F7cs4q315t

Structural Information

Molecular Formula
C10H15N
SMILES
CC1[C@H]2CC[C@](C2)(C1C#N)C
InChI
InChI=1S/C10H15N/c1-7-8-3-4-10(2,5-8)9(7)6-11/h7-9H,3-5H2,1-2H3/t7?,8-,9?,10+/m0/s1
InChIKey
BDYGNAKOXIGYCJ-RVXWLBMTSA-N
Compound name
(1R,4S)-1,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

149.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 135.0
[M+Na]+ 172.10967 146.7
[M-H]- 148.11317 138.4
[M+NH4]+ 167.15427 161.2
[M+K]+ 188.08361 140.6
[M+H-H2O]+ 132.11771 125.1
[M+HCOO]- 194.11865 153.0
[M+CH3COO]- 208.13430 190.3
[M+Na-2H]- 170.09512 138.9
[M]+ 149.11990 129.6
[M]- 149.12100 129.6
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

No patent data available for this compound.