CID 130577871

1-[3-(dimethylamino)-2-hydroxypropyl]cyclobutane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H18N2O
SMILES
CN(C)CC(CC1(CCC1)C#N)O
InChI
InChI=1S/C10H18N2O/c1-12(2)7-9(13)6-10(8-11)4-3-5-10/h9,13H,3-7H2,1-2H3
InChIKey
LLCCFXHTZFTZBM-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)-2-hydroxypropyl]cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 142.6
[M+Na]+ 205.13112 147.8
[M-H]- 181.13462 145.8
[M+NH4]+ 200.17572 156.0
[M+K]+ 221.10506 151.0
[M+H-H2O]+ 165.13916 126.8
[M+HCOO]- 227.14010 159.5
[M+CH3COO]- 241.15575 200.9
[M+Na-2H]- 203.11657 146.0
[M]+ 182.14135 145.0
[M]- 182.14245 145.0
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.