CID 126970556

2387601-08-1

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2(CC2)CC1N

InChI

InChI=1S/C7H13N/c8-6-1-2-7(5-6)3-4-7/h6H,1-5,8H2

InChIKey

QPWYPDAPDIKXFK-UHFFFAOYSA-N

Compound name

spiro[2.4]heptan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 111.1048 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]+	112.11208	121.3
[M+Na]+	134.09402	130.0
[M-H]-	110.09752	127.5
[M+NH4]+	129.13862	142.5
[M+K]+	150.06796	128.3
[M+H-H2O]+	94.102060	116.7
[M+HCOO]-	156.10300	144.4
[M+CH3COO]-	170.11865	172.5
[M+Na-2H]-	132.07947	127.8
[M]+	111.10425	119.0
[M]-	111.10535	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe