CID 92131081

(3,3-dimethyloxetan-2-yl)methanamine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(COC1CN)C
InChI
InChI=1S/C6H13NO/c1-6(2)4-8-5(6)3-7/h5H,3-4,7H2,1-2H3
InChIKey
NCPHDIBQJSWLLO-UHFFFAOYSA-N
Compound name
(3,3-dimethyloxetan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.5
[M+Na]+ 138.08894 128.9
[M-H]- 114.09244 126.8
[M+NH4]+ 133.13354 139.2
[M+K]+ 154.06288 132.7
[M+H-H2O]+ 98.096980 113.8
[M+HCOO]- 160.09792 144.3
[M+CH3COO]- 174.11357 175.4
[M+Na-2H]- 136.07439 130.0
[M]+ 115.09917 130.4
[M]- 115.10027 130.4
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