CID 122163726

N-benzyl-5,5-dimethyloxolan-3-amine

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1(CC(CO1)NCC2=CC=CC=C2)C
InChI
InChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey
GSXDTXXZNSUHDR-UHFFFAOYSA-N
Compound name
N-benzyl-5,5-dimethyloxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 146.5
[M+Na]+ 228.13589 152.5
[M-H]- 204.13939 153.6
[M+NH4]+ 223.18049 167.6
[M+K]+ 244.10983 151.0
[M+H-H2O]+ 188.14393 140.4
[M+HCOO]- 250.14487 169.5
[M+CH3COO]- 264.16052 187.1
[M+Na-2H]- 226.12134 152.3
[M]+ 205.14612 145.1
[M]- 205.14722 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.