CID 21624254

(1-aminocyclobutyl)methanol

Structural Information

Molecular Formula
C5H11NO
SMILES
C1CC(C1)(CO)N
InChI
InChI=1S/C5H11NO/c6-5(4-7)2-1-3-5/h7H,1-4,6H2
InChIKey
VRDXDROAZSDMSA-UHFFFAOYSA-N
Compound name
(1-aminocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

101.08406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 121.0
[M+Na]+ 124.07328 126.5
[M-H]- 100.07678 123.0
[M+NH4]+ 119.11788 138.3
[M+K]+ 140.04722 128.6
[M+H-H2O]+ 84.081320 112.3
[M+HCOO]- 146.08226 142.4
[M+CH3COO]- 160.09791 168.9
[M+Na-2H]- 122.05873 127.9
[M]+ 101.08351 125.7
[M]- 101.08461 125.7
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