CID 10855417

Exo-norborneol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1C[C@@H]2C[C@H]1C[C@H]2O

InChI

InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m0/s1

InChIKey

ZQTYQMYDIHMKQB-RRKCRQDMSA-N

Compound name

(1R,2R,4S)-bicyclo[2.2.1]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 5827
Patents: 112.08881 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.09609	124.1
[M+Na]+	135.07803	131.4
[M-H]-	111.08153	125.7
[M+NH4]+	130.12263	151.4
[M+K]+	151.05197	129.7
[M+H-H2O]+	95.086070	120.6
[M+HCOO]-	157.08701	144.7
[M+CH3COO]-	171.10266	166.1
[M+Na-2H]-	133.06348	128.4
[M]+	112.08826	121.1
[M]-	112.08936	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe