CID 95688

Norborn-5-en-2-yl acetate

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(=O)OC1CC2CC1C=C2
InChI
InChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
InChIKey
DRWRVXAXXGJZIO-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]hept-5-enyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1612
Patents

152.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 133.8
[M+Na]+ 175.07294 141.7
[M-H]- 151.07644 137.0
[M+NH4]+ 170.11754 160.2
[M+K]+ 191.04688 140.6
[M+H-H2O]+ 135.08098 129.9
[M+HCOO]- 197.08192 156.2
[M+CH3COO]- 211.09757 175.7
[M+Na-2H]- 173.05839 137.3
[M]+ 152.08317 134.8
[M]- 152.08427 134.8
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