CID 107289

Einecs 224-779-3

Structural Information

Molecular Formula
C16H22O
SMILES
CC1(C2CCC1(C(C2)C3=CC=C(C=C3)O)C)C
InChI
InChI=1S/C16H22O/c1-15(2)12-8-9-16(15,3)14(10-12)11-4-6-13(17)7-5-11/h4-7,12,14,17H,8-10H2,1-3H3
InChIKey
DUDPYRGZUMHGFQ-UHFFFAOYSA-N
Compound name
4-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

230.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.174346 155.2
[M+Na]+ 253.156288 164.1
[M-H]- 229.159794 160.7
[M+NH4]+ 248.200893 182.2
[M+K]+ 269.130228 159.2
[M+H-H2O]+ 213.164330 151.2
[M+HCOO]- 275.165271 174.6
[M+CH3COO]- 289.180921 168.3
[M+Na-2H]- 251.141736 157.8
[M]+ 230.16652142 154.5
[M]- 230.16761858 154.5
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