CID 116522783

3-(5,5-dimethyloxolan-2-yl)propan-1-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1(CCC(O1)CCCN)C
InChI
InChI=1S/C9H19NO/c1-9(2)6-5-8(11-9)4-3-7-10/h8H,3-7,10H2,1-2H3
InChIKey
DPKBLWZNPXQJJS-UHFFFAOYSA-N
Compound name
3-(5,5-dimethyloxolan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 136.0
[M+Na]+ 180.13589 142.2
[M-H]- 156.13939 139.4
[M+NH4]+ 175.18049 159.1
[M+K]+ 196.10983 142.1
[M+H-H2O]+ 140.14393 131.5
[M+HCOO]- 202.14487 158.0
[M+CH3COO]- 216.16052 178.9
[M+Na-2H]- 178.12134 140.8
[M]+ 157.14612 134.6
[M]- 157.14722 134.6
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.