CID 68485856

(2-methyloxetan-2-yl)methanamine

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1(CCO1)CN
InChI
InChI=1S/C5H11NO/c1-5(4-6)2-3-7-5/h2-4,6H2,1H3
InChIKey
MXDPNQXVFYMEEG-UHFFFAOYSA-N
Compound name
(2-methyloxetan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 117.9
[M+Na]+ 124.073278 123.8
[M-H]- 100.076784 122.0
[M+NH4]+ 119.117883 134.8
[M+K]+ 140.047218 127.9
[M+H-H2O]+ 84.081320 109.1
[M+HCOO]- 146.082261 140.0
[M+CH3COO]- 160.097911 171.3
[M+Na-2H]- 122.058726 126.6
[M]+ 101.08351142 125.1
[M]- 101.08460858 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

No literature data available for this compound.

Patent stripe

patents stripe