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]+ 158.153946 136.0
[M+Na]+ 180.135888 142.2
[M-H]- 156.139394 139.4
[M+NH4]+ 175.180493 159.1
[M+K]+ 196.109828 142.1
[M+H-H2O]+ 140.143930 131.5
[M+HCOO]- 202.144871 158.0
[M+CH3COO]- 216.160521 178.9
[M+Na-2H]- 178.121336 140.8
[M]+ 157.14612142 134.6
[M]- 157.14721858 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.