CID 59657894

1357396-54-3

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(COCCC1N)C
InChI
InChI=1S/C7H15NO/c1-7(2)5-9-4-3-6(7)8/h6H,3-5,8H2,1-2H3
InChIKey
JGWGGKYRXGDOMC-UHFFFAOYSA-N
Compound name
3,3-dimethyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.3
[M+Na]+ 152.104588 133.5
[M-H]- 128.108094 130.9
[M+NH4]+ 147.149193 149.6
[M+K]+ 168.078528 134.1
[M+H-H2O]+ 112.112630 122.8
[M+HCOO]- 174.113571 147.8
[M+CH3COO]- 188.129221 173.1
[M+Na-2H]- 150.090036 134.2
[M]+ 129.11482142 123.1
[M]- 129.11591858 123.1
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