CID 65460320

2-[(cyclobutylmethyl)amino]propan-1-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(CO)NCC1CCC1
InChI
InChI=1S/C8H17NO/c1-7(6-10)9-5-8-3-2-4-8/h7-10H,2-6H2,1H3
InChIKey
JQWURHQWUTWQOF-UHFFFAOYSA-N
Compound name
2-(cyclobutylmethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.6
[M+Na]+ 166.120228 137.5
[M-H]- 142.123734 136.2
[M+NH4]+ 161.164833 148.4
[M+K]+ 182.094168 139.8
[M+H-H2O]+ 126.128270 123.8
[M+HCOO]- 188.129211 154.6
[M+CH3COO]- 202.144861 179.7
[M+Na-2H]- 164.105676 138.5
[M]+ 143.13046142 140.3
[M]- 143.13155858 140.3
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

patents stripe