CID 132342225

2-(5,5-dimethyloxan-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1(CCC(OC1)CCN)C
InChI
InChI=1S/C9H19NO/c1-9(2)5-3-8(4-6-10)11-7-9/h8H,3-7,10H2,1-2H3
InChIKey
RPCMANPQGDZWBI-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyloxan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 136.4
[M+Na]+ 180.13589 141.8
[M-H]- 156.13939 139.7
[M+NH4]+ 175.18049 157.7
[M+K]+ 196.10983 141.9
[M+H-H2O]+ 140.14393 131.5
[M+HCOO]- 202.14487 156.3
[M+CH3COO]- 216.16052 179.2
[M+Na-2H]- 178.12134 142.3
[M]+ 157.14612 133.0
[M]- 157.14722 133.0
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.