CID 101717

497-32-5

Structural Information

Molecular Formula
C10H16
SMILES
CC1(CC2CC1CC2=C)C
InChI
InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey
NJZUUYADLXBQPA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

136.1252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 131.7
[M+Na]+ 159.11442 140.5
[M-H]- 135.11792 135.0
[M+NH4]+ 154.15902 161.1
[M+K]+ 175.08836 137.7
[M+H-H2O]+ 119.12246 128.7
[M+HCOO]- 181.12340 152.9
[M+CH3COO]- 195.13905 175.6
[M+Na-2H]- 157.09987 135.4
[M]+ 136.12465 130.1
[M]- 136.12575 130.1
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