CID 117545368

2551114-57-7

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C1(COC1)C)N
InChI
InChI=1S/C6H13NO/c1-5(7)6(2)3-8-4-6/h5H,3-4,7H2,1-2H3
InChIKey
VXNMAFYOYOFJFI-UHFFFAOYSA-N
Compound name
1-(3-methyloxetan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 124.9
[M+Na]+ 138.08894 130.0
[M-H]- 114.09244 128.8
[M+NH4]+ 133.13354 141.1
[M+K]+ 154.06288 134.3
[M+H-H2O]+ 98.096980 115.8
[M+HCOO]- 160.09792 145.6
[M+CH3COO]- 174.11357 175.1
[M+Na-2H]- 136.07439 131.6
[M]+ 115.09917 131.7
[M]- 115.10027 131.7
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