CID 44272207

2-amino-1-cyclobutylethan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(C1)C(CN)O
InChI
InChI=1S/C6H13NO/c7-4-6(8)5-2-1-3-5/h5-6,8H,1-4,7H2
InChIKey
HYTCCTDRNKQPGP-UHFFFAOYSA-N
Compound name
2-amino-1-cyclobutylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 126.2
[M+Na]+ 138.08894 130.0
[M-H]- 114.09244 127.6
[M+NH4]+ 133.13354 140.8
[M+K]+ 154.06288 132.4
[M+H-H2O]+ 98.096980 115.7
[M+HCOO]- 160.09792 146.2
[M+CH3COO]- 174.11357 173.1
[M+Na-2H]- 136.07439 130.1
[M]+ 115.09917 130.2
[M]- 115.10027 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe