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]+ 144.13829 134.6
[M+Na]+ 166.12023 137.5
[M-H]- 142.12373 136.2
[M+NH4]+ 161.16483 148.4
[M+K]+ 182.09417 139.8
[M+H-H2O]+ 126.12827 123.8
[M+HCOO]- 188.12921 154.6
[M+CH3COO]- 202.14486 179.7
[M+Na-2H]- 164.10568 138.5
[M]+ 143.13046 140.3
[M]- 143.13156 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