CID 118001580

2839139-04-5

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC12CCC(C1)NC2

InChI

InChI=1S/C7H13N/c1-7-3-2-6(4-7)8-5-7/h6,8H,2-5H2,1H3

InChIKey

RCJKVAHBLBZXLG-UHFFFAOYSA-N

Compound name

4-methyl-2-azabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.11208	125.4
[M+Na]+	134.09402	132.8
[M-H]-	110.09752	125.5
[M+NH4]+	129.13862	153.1
[M+K]+	150.06796	130.8
[M+H-H2O]+	94.102060	120.9
[M+HCOO]-	156.10300	144.6
[M+CH3COO]-	170.11865	138.9
[M+Na-2H]-	132.07947	131.0
[M]+	111.10425	121.3
[M]-	111.10535	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe