CID 15789550

(3-methyloxetan-3-yl)methanamine

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1(COC1)CN
InChI
InChI=1S/C5H11NO/c1-5(2-6)3-7-4-5/h2-4,6H2,1H3
InChIKey
MCPRXSXYXHMCKF-UHFFFAOYSA-N
Compound name
(3-methyloxetan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

856
Patents

101.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 117.9
[M+Na]+ 124.07328 123.8
[M-H]- 100.07678 122.0
[M+NH4]+ 119.11788 134.8
[M+K]+ 140.04722 127.9
[M+H-H2O]+ 84.081320 109.1
[M+HCOO]- 146.08226 140.0
[M+CH3COO]- 160.09791 171.3
[M+Na-2H]- 122.05873 126.6
[M]+ 101.08351 125.1
[M]- 101.08461 125.1
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