CID 62987056

3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine

Structural Information

Molecular Formula
C9H20N2O
SMILES
CC1CN(CCCO1)CCCN
InChI
InChI=1S/C9H20N2O/c1-9-8-11(5-2-4-10)6-3-7-12-9/h9H,2-8,10H2,1H3
InChIKey
YKELQXIWZFQQQS-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.15756 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.16484 136.2
[M+Na]+ 195.14678 138.8
[M-H]- 171.15028 138.7
[M+NH4]+ 190.19138 152.1
[M+K]+ 211.12072 142.9
[M+H-H2O]+ 155.15482 129.1
[M+HCOO]- 217.15576 154.1
[M+CH3COO]- 231.17141 184.0
[M+Na-2H]- 193.13223 140.7
[M]+ 172.15701 129.9
[M]- 172.15811 129.9
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.