CID 21054638

1787906-12-0

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1COCCC1N
InChI
InChI=1S/C6H13NO/c1-5-4-8-3-2-6(5)7/h5-6H,2-4,7H2,1H3
InChIKey
WFVKNHIDEGYGPD-UHFFFAOYSA-N
Compound name
3-methyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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 123.7
[M+Na]+ 138.08894 129.4
[M-H]- 114.09244 127.1
[M+NH4]+ 133.13354 144.6
[M+K]+ 154.06288 130.0
[M+H-H2O]+ 98.096980 118.5
[M+HCOO]- 160.09792 144.6
[M+CH3COO]- 174.11357 170.4
[M+Na-2H]- 136.07439 130.0
[M]+ 115.09917 118.9
[M]- 115.10027 118.9
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