CID 83854307

1350821-95-2

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

COC(=O)C12CCC(C1)(CC2)CO

InChI

InChI=1S/C10H16O3/c1-13-8(12)10-4-2-9(6-10,7-11)3-5-10/h11H,2-7H2,1H3

InChIKey

SUBCPWAUFQPRLU-UHFFFAOYSA-N

Compound name

methyl 4-(hydroxymethyl)bicyclo[2.2.1]heptane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 184.10994 Da
Monoisotopic Mass: 0.7
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]+	185.11722	144.0
[M+Na]+	207.09916	151.0
[M-H]-	183.10266	145.4
[M+NH4]+	202.14376	171.9
[M+K]+	223.07310	149.3
[M+H-H2O]+	167.10720	141.2
[M+HCOO]-	229.10814	163.2
[M+CH3COO]-	243.12379	176.6
[M+Na-2H]-	205.08461	148.7
[M]+	184.10939	143.8
[M]-	184.11049	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe