CID 98090

2439-57-8

Structural Information

Molecular Formula
C6H13NO
SMILES
CNCC1CCCO1
InChI
InChI=1S/C6H13NO/c1-7-5-6-3-2-4-8-6/h6-7H,2-5H2,1H3
InChIKey
VJUDVVHGQMPPEI-UHFFFAOYSA-N
Compound name
N-methyl-1-(oxolan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

740
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 123.7
[M+Na]+ 138.08894 129.2
[M-H]- 114.09244 127.3
[M+NH4]+ 133.13354 146.3
[M+K]+ 154.06288 130.1
[M+H-H2O]+ 98.096980 118.4
[M+HCOO]- 160.09792 147.2
[M+CH3COO]- 174.11357 169.8
[M+Na-2H]- 136.07439 130.5
[M]+ 115.09917 121.5
[M]- 115.10027 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe