CID 564727

Bicyclo[4.1.0]heptan-2-ol, 4,7,7-trimethyl-

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CC2C(C2(C)C)C(C1)O
InChI
InChI=1S/C10H18O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h6-9,11H,4-5H2,1-3H3
InChIKey
NZERPKAXZIGFLL-UHFFFAOYSA-N
Compound name
4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.3
[M+Na]+ 177.124988 144.3
[M-H]- 153.128494 138.9
[M+NH4]+ 172.169593 153.7
[M+K]+ 193.098928 141.9
[M+H-H2O]+ 137.133030 130.4
[M+HCOO]- 199.133971 152.5
[M+CH3COO]- 213.149621 181.3
[M+Na-2H]- 175.110436 139.8
[M]+ 154.13522142 135.4
[M]- 154.13631858 135.4
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