CID 524198

1-isopropyl-4-methylenebicyclo[3.1.0]hex-2-ene

Structural Information

Molecular Formula
C10H14
SMILES
CC(C)C12CC1C(=C)C=C2
InChI
InChI=1S/C10H14/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7,9H,3,6H2,1-2H3
InChIKey
LBVRQJWOZIMWNY-UHFFFAOYSA-N
Compound name
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

38
Patents

134.10954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 128.9
[M+Na]+ 157.09876 139.5
[M-H]- 133.10226 134.8
[M+NH4]+ 152.14336 150.9
[M+K]+ 173.07270 136.9
[M+H-H2O]+ 117.10680 124.9
[M+HCOO]- 179.10774 151.0
[M+CH3COO]- 193.12339 179.2
[M+Na-2H]- 155.08421 134.6
[M]+ 134.10899 131.6
[M]- 134.11009 131.6
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