CID 80212914

(2-methyloxan-2-yl)methanamine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CCCCO1)CN
InChI
InChI=1S/C7H15NO/c1-7(6-8)4-2-3-5-9-7/h2-6,8H2,1H3
InChIKey
CGAJFTOQBCOKEH-UHFFFAOYSA-N
Compound name
(2-methyloxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.8
[M+Na]+ 152.104588 133.0
[M-H]- 128.108094 131.1
[M+NH4]+ 147.149193 149.8
[M+K]+ 168.078528 133.6
[M+H-H2O]+ 112.112630 123.0
[M+HCOO]- 174.113571 148.4
[M+CH3COO]- 188.129221 171.9
[M+Na-2H]- 150.090036 135.4
[M]+ 129.11482142 123.3
[M]- 129.11591858 123.3
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