CID 21336909

3-methyloxan-3-amine hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCCOC1)N
InChI
InChI=1S/C6H13NO/c1-6(7)3-2-4-8-5-6/h2-5,7H2,1H3
InChIKey
XUQPKAUREVHBJK-UHFFFAOYSA-N
Compound name
3-methyloxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 123.2
[M+Na]+ 138.08894 128.9
[M-H]- 114.09244 126.7
[M+NH4]+ 133.13354 145.8
[M+K]+ 154.06288 129.8
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.09792 144.1
[M+CH3COO]- 174.11357 168.9
[M+Na-2H]- 136.07439 131.4
[M]+ 115.09917 118.3
[M]- 115.10027 118.3
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