CID 15451

7-nitrogramine

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CN(C)CC1=CNC2=C1C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O2/c1-13(2)7-8-6-12-11-9(8)4-3-5-10(11)14(15)16/h3-6,12H,7H2,1-2H3
InChIKey
YLVPUBNLOINGDI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(7-nitro-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

219.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 145.0
[M+Na]+ 242.089988 152.9
[M-H]- 218.093494 149.0
[M+NH4]+ 237.134593 164.0
[M+K]+ 258.063928 146.4
[M+H-H2O]+ 202.098030 142.8
[M+HCOO]- 264.098971 170.8
[M+CH3COO]- 278.114621 186.2
[M+Na-2H]- 240.075436 153.1
[M]+ 219.10022142 145.2
[M]- 219.10131858 145.2
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