CID 82412650

1385696-84-3

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

C1CC1CC2(CCOCC2)CN

InChI

InChI=1S/C10H19NO/c11-8-10(7-9-1-2-9)3-5-12-6-4-10/h9H,1-8,11H2

InChIKey

KVCPWVSEAIMBBN-UHFFFAOYSA-N

Compound name

[4-(cyclopropylmethyl)oxan-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 169.14667 Da
Monoisotopic Mass: 1.2
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]+	170.153946	137.7
[M+Na]+	192.135888	143.7
[M-H]-	168.139394	144.6
[M+NH4]+	187.180493	153.1
[M+K]+	208.109828	143.6
[M+H-H2O]+	152.143930	131.7
[M+HCOO]-	214.144871	157.4
[M+CH3COO]-	228.160521	183.0
[M+Na-2H]-	190.121336	144.3
[M]+	169.14612142	135.9
[M]-	169.14721858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe